3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine

C14H25N3 — CID 143596032

IUPAC3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine
SMILESCC(c1cccnc1N)N(C)CCC(C)(C)C
InChIInChI=1S/C14H25N3/c1-11(12-7-6-9-16-13(12)15)17(5)10-8-14(2,3)4/h6-7,9,11H,8,10H2,1-5H3,(H2,15,16)
InChIKeySTIWBODBNUTGTC-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.09
Rot. Bonds4

About 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine

3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine (PubChem CID 143596032) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine
PubChem CID143596032
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine
SMILESCC(c1cccnc1N)N(C)CCC(C)(C)C
InChIInChI=1S/C14H25N3/c1-11(12-7-6-9-16-13(12)15)17(5)10-8-14(2,3)4/h6-7,9,11H,8,10H2,1-5H3,(H2,15,16)
InChIKeySTIWBODBNUTGTC-UHFFFAOYSA-N
XLogP3.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine?
The IUPAC name of 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine (CID 143596032) is 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine?
The canonical SMILES for 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine is CC(c1cccnc1N)N(C)CCC(C)(C)C.
What is the InChIKey of 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine?
The InChIKey is STIWBODBNUTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(12-7-6-9-16-13(12)15)17(5)10-8-14(2,3)4/h6-7,9,11H,8,10H2,1-5H3,(H2,15,16).
What are the key properties of 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine?
3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine has a molecular weight of 235.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine is sourced from PubChem (CID 143596032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).